6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline

C13H9F2N3 — CID 168555282

IUPAC6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
SMILESNc1c(-c2nc3ccccc3[nH]2)ccc(F)c1F
InChIInChI=1S/C13H9F2N3/c14-8-6-5-7(12(16)11(8)15)13-17-9-3-1-2-4-10(9)18-13/h1-6H,16H2,(H,17,18)
InChIKeyYWIXJGZKAUMLPG-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.09
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline

6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline (PubChem CID 168555282) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
PubChem CID168555282
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
SMILESNc1c(-c2nc3ccccc3[nH]2)ccc(F)c1F
InChIInChI=1S/C13H9F2N3/c14-8-6-5-7(12(16)11(8)15)13-17-9-3-1-2-4-10(9)18-13/h1-6H,16H2,(H,17,18)
InChIKeyYWIXJGZKAUMLPG-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
CID 68765479
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline (CID 168555282) is 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline is Nc1c(-c2nc3ccccc3[nH]2)ccc(F)c1F.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline?
The InChIKey is YWIXJGZKAUMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-8-6-5-7(12(16)11(8)15)13-17-9-3-1-2-4-10(9)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline?
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline has a molecular weight of 245.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline is sourced from PubChem (CID 168555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).